2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide

C15H17N2O2+ — CID 4739481

IUPAC2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
SMILESCCOc1ccccc1C(=O)NCc1ccc[nH+]c1
InChIInChI=1S/C15H16N2O2/c1-2-19-14-8-4-3-7-13(14)15(18)17-11-12-6-5-9-16-10-12/h3-10H,2,11H2,1H3,(H,17,18)/p+1
InChIKeyNFOBTLDLTKMYNQ-UHFFFAOYSA-O
MW257.31 g/mol
LogP1.83
Rot. Bonds5

About 2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide

2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide (PubChem CID 4739481) has the molecular formula C15H17N2O2+ and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
PubChem CID4739481
Molecular FormulaC15H17N2O2+
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
SMILESCCOc1ccccc1C(=O)NCc1ccc[nH+]c1
InChIInChI=1S/C15H16N2O2/c1-2-19-14-8-4-3-7-13(14)15(18)17-11-12-6-5-9-16-10-12/h3-10H,2,11H2,1H3,(H,17,18)/p+1
InChIKeyNFOBTLDLTKMYNQ-UHFFFAOYSA-O
XLogP1.83
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627
[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]boronic acid
CID 140927924
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
CID 46415447
N-benzyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]benzamide
CID 7981661
5-amino-N-benzyl-2-ethoxybenzamide
CID 141452184
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293453
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide?
The IUPAC name of 2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide (CID 4739481) is 2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide is CCOc1ccccc1C(=O)NCc1ccc[nH+]c1.
What is the InChIKey of 2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide?
The InChIKey is NFOBTLDLTKMYNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-14-8-4-3-7-13(14)15(18)17-11-12-6-5-9-16-10-12/h3-10H,2,11H2,1H3,(H,17,18)/p+1.
What are the key properties of 2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide?
2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide has a molecular weight of 257.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide is sourced from PubChem (CID 4739481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).